C284-0149 Screening compound: ethyl 4-[2-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}acetamido)-5-nitrobenzamido]benzoate

C284-0149 Screening compound: ethyl 4-[2-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}acetamido)-5-nitrobenzamido]benzoate
C284-0149 Screening compound: ethyl 4-[2-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}acetamido)-5-nitrobenzamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C284-0149
ethyl 4-[2-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}acetamido)-5-nitrobenzamido]benzoate

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

C284-0149

Molecular Formula

C26H24N4O8 (C26 H24 N4 O8)

Compound Name

ethyl 4-[2-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}acetamido)-5-nitrobenzamido]benzoate

IUPAC name

ethyl 4-[2-(2-{[(2H-13-benzodioxol-5-yl)methyl]amino}acetamido)-5-nitrobenzamido]benzoate

SMILES

CCOC(c(cc1)ccc1NC(c(cc(cc1)[N+]([O-])=O)c1NC(CNCc(cc1)cc2c1OCO2)=O)=O)=O

InChI

InChI=1S/C26H24N4O8/c1-2-36-26(33)17-4-6-18(7-5-17)28-25(32)20-12-19(30(34)35)8-9-21(20)29-24(31)14-27-13-16-3-10-22-23(11-16)38-15-37-22/h3-12,27H,2,13-15H2,1H3,(H,28,32)(H,29,31)

InChI Key

OBIKCKOVPXGQPC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14740736

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

520.5

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.498

Distribution Coefficient, logD

3.081

Water Solubility, LogSw

-3.82

Polar Surface Area

128.798

Acid Dissociation Constant (pKa)

7.55

Base Dissociation Constant (pKb)

7.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

References: we are preparing a list of scientific research reports with C284-0149 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C284-0149?
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What is the minimum amount of C284-0149 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C284-0149
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C284-0149
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of C284-0149 available by request